Benzyl 2-bromopropanoate
TL;DR: Benzyl 2-bromopropanoate (CAS 3017-53-6) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-bromopropanoate
Also Known As: benzyl 2-bromopropanoate, 2-Bromopropionic Acid Benzyl Ester, Benzyl 2-Bromopropionate, Benzyl a-bromopropionate, Benzyl-2-Bromopropionate
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 3017-53-6 |
|---|---|
| SMILES | CC(C(=O)OCC1=CC=CC=C1)Br |
| InChIKey | IZZIPPQWYVRGRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-bromopropanoate (CAS 3017-53-6), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: benzyl 2-bromopropanoate.
Chemical Property Profile of Benzyl 2-bromopropanoate
Property Insights of Benzyl 2-bromopropanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-bromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-bromopropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 2-bromopropanoate?
The CAS number of Benzyl 2-bromopropanoate is 3017-53-6.
What is the molecular formula of Benzyl 2-bromopropanoate?
The molecular formula of Benzyl 2-bromopropanoate is C10H11BrO2.
What is the molecular weight of Benzyl 2-bromopropanoate?
The molecular weight of Benzyl 2-bromopropanoate is 241.99 g/mol.
Where can I buy Benzyl 2-bromopropanoate?
You can request a quote for Benzyl 2-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.